ethane;3-methyl-3H-quinolin-2-one

C12H15NO — CID 91141532

IUPACethane;3-methyl-3H-quinolin-2-one
SMILESCC.CC1C=c2ccccc2=NC1=O
InChIInChI=1S/C10H9NO.C2H6/c1-7-6-8-4-2-3-5-9(8)11-10(7)12;1-2/h2-7H,1H3;1-2H3
InChIKeyFITVFFKUPIMZNB-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.29
Rot. Bonds

About ethane;3-methyl-3H-quinolin-2-one

ethane;3-methyl-3H-quinolin-2-one (PubChem CID 91141532) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is ethane;3-methyl-3H-quinolin-2-one.

Molecular Properties

Compound Nameethane;3-methyl-3H-quinolin-2-one
PubChem CID91141532
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Nameethane;3-methyl-3H-quinolin-2-one
SMILESCC.CC1C=c2ccccc2=NC1=O
InChIInChI=1S/C10H9NO.C2H6/c1-7-6-8-4-2-3-5-9(8)11-10(7)12;1-2/h2-7H,1H3;1-2H3
InChIKeyFITVFFKUPIMZNB-UHFFFAOYSA-N
XLogP1.29
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Dihydroquinolinone
CID 56625474
Carbonyl quinolinone
CID 71302596
3-fluoro-3H-quinolin-2-one
CID 119086068
N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide
CID 134893326
(6-Tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone
CID 134893458
3-fluoro-4-methylquinolin-2(3H)-one
CID 71650944
(3R)-3-fluoro-4-methyl-3H-quinolin-2-one
CID 97032449
(3S)-3-fluoro-4-methyl-3H-quinolin-2-one
CID 97032450
N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 12504459
6,7-Dimethylquinoxaline-2,3-dione
CID 17861185
6-Methylquinoxaline-2,3-dione
CID 19073526
6H-quinolin-2-one
CID 19699059

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-3H-quinolin-2-one?
The IUPAC name of ethane;3-methyl-3H-quinolin-2-one (CID 91141532) is ethane;3-methyl-3H-quinolin-2-one.
What is the SMILES notation for ethane;3-methyl-3H-quinolin-2-one?
The canonical SMILES for ethane;3-methyl-3H-quinolin-2-one is CC.CC1C=c2ccccc2=NC1=O.
What is the InChIKey of ethane;3-methyl-3H-quinolin-2-one?
The InChIKey is FITVFFKUPIMZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C2H6/c1-7-6-8-4-2-3-5-9(8)11-10(7)12;1-2/h2-7H,1H3;1-2H3.
What are the key properties of ethane;3-methyl-3H-quinolin-2-one?
ethane;3-methyl-3H-quinolin-2-one has a molecular weight of 189.26 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-3H-quinolin-2-one is sourced from PubChem (CID 91141532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).